N-[(1-cyclopropylcyclopropyl)methyl]-5-iodopyrimidin-2-amine

C11H14IN3 — CID 104844190

IUPACN-[(1-cyclopropylcyclopropyl)methyl]-5-iodopyrimidin-2-amine
SMILESIc1cnc(NCC2(C3CC3)CC2)nc1
InChIInChI=1S/C11H14IN3/c12-9-5-13-10(14-6-9)15-7-11(3-4-11)8-1-2-8/h5-6,8H,1-4,7H2,(H,13,14,15)
InChIKeySBWCTDYCNUSRQN-UHFFFAOYSA-N
MW315.16 g/mol
LogP2.68
Rot. Bonds4

About N-[(1-cyclopropylcyclopropyl)methyl]-5-iodopyrimidin-2-amine

N-[(1-cyclopropylcyclopropyl)methyl]-5-iodopyrimidin-2-amine (PubChem CID 104844190) has the molecular formula C11H14IN3 and a molecular weight of 315.16 g/mol. Its IUPAC name is N-[(1-cyclopropylcyclopropyl)methyl]-5-iodopyrimidin-2-amine.

Molecular Properties

Compound NameN-[(1-cyclopropylcyclopropyl)methyl]-5-iodopyrimidin-2-amine
PubChem CID104844190
Molecular FormulaC11H14IN3
Molecular Weight315.16 g/mol
Exact Mass315.02
IUPAC NameN-[(1-cyclopropylcyclopropyl)methyl]-5-iodopyrimidin-2-amine
SMILESIc1cnc(NCC2(C3CC3)CC2)nc1
InChIInChI=1S/C11H14IN3/c12-9-5-13-10(14-6-9)15-7-11(3-4-11)8-1-2-8/h5-6,8H,1-4,7H2,(H,13,14,15)
InChIKeySBWCTDYCNUSRQN-UHFFFAOYSA-N
XLogP2.68
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.16
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-(cyclopropylmethyl)-5-iodopyrimidin-2-amine
CID 115620662
5-iodo-N-[(1-methylsulfinylcyclopropyl)methyl]pyrimidin-2-amine
CID 130948465
N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-5-iodopyrimidin-2-amine
CID 104840347
5-[(1-cyclopropylcyclopropyl)methylamino]pyridine-2-carbonitrile
CID 103837573
1-cyclopropyl-N'-(5-iodopyrimidin-2-yl)ethane-1,2-diamine
CID 116648669
2,6-dichloro-1-N-[(1-cyclopropylcyclopropyl)methyl]benzene-1,4-diamine
CID 114095331
N-[(3-aminocyclobutyl)methyl]-5-iodopyrimidin-2-amine
CID 116649643
5-chloro-N-[(1-cyclopropylcyclopropyl)methyl]-2-methoxypyrimidin-4-amine
CID 103837643
N-[(3-chlorocyclopentyl)methyl]-5-iodopyrimidin-2-amine
CID 106123816
5-iodo-N-(oxolan-3-ylmethyl)pyrimidin-2-amine
CID 104841332
N-[(1-cyclopropylcyclopropyl)methyl]-6-methoxypyrimidin-4-amine
CID 104918007
N-[(1-cyclopropylcyclopropyl)methyl]-1-(2-methyl-1,3-thiazol-5-yl)methanamine
CID 115757779

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopropylcyclopropyl)methyl]-5-iodopyrimidin-2-amine?
The IUPAC name of N-[(1-cyclopropylcyclopropyl)methyl]-5-iodopyrimidin-2-amine (CID 104844190) is N-[(1-cyclopropylcyclopropyl)methyl]-5-iodopyrimidin-2-amine.
What is the SMILES notation for N-[(1-cyclopropylcyclopropyl)methyl]-5-iodopyrimidin-2-amine?
The canonical SMILES for N-[(1-cyclopropylcyclopropyl)methyl]-5-iodopyrimidin-2-amine is Ic1cnc(NCC2(C3CC3)CC2)nc1.
What is the InChIKey of N-[(1-cyclopropylcyclopropyl)methyl]-5-iodopyrimidin-2-amine?
The InChIKey is SBWCTDYCNUSRQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14IN3/c12-9-5-13-10(14-6-9)15-7-11(3-4-11)8-1-2-8/h5-6,8H,1-4,7H2,(H,13,14,15).
What are the key properties of N-[(1-cyclopropylcyclopropyl)methyl]-5-iodopyrimidin-2-amine?
N-[(1-cyclopropylcyclopropyl)methyl]-5-iodopyrimidin-2-amine has a molecular weight of 315.16 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopropylcyclopropyl)methyl]-5-iodopyrimidin-2-amine is sourced from PubChem (CID 104844190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).